==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-08 3DYB . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR S.B.LARSON,J.S.DAY,A.MCPHERSON,R.CUDNEY,C.NGUYEN,CENTER FOR . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 45 0, 0.0 24,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.9 -9.4 12.7 -17.6 2 2 A A E -A 24 0A 62 22,-0.2 2,-0.6 25,-0.0 22,-0.2 -0.994 360.0-163.5-140.4 130.6 -7.6 10.6 -15.0 3 3 A Q E > -A 23 0A 28 20,-2.9 20,-2.4 -2,-0.4 3,-0.6 -0.946 21.0-146.3-115.9 114.1 -6.0 11.5 -11.7 4 4 A T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.367 75.5 13.4 -80.5 156.5 -3.6 8.8 -10.5 5 5 A N T 3 S+ 0 0 138 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.870 89.5 166.3 46.5 45.8 -3.1 8.0 -6.8 6 6 A A < - 0 0 11 15,-2.4 -1,-0.1 -3,-0.6 76,-0.1 -0.355 48.4 -74.9 -78.1 165.2 -6.2 10.0 -5.9 7 7 A P >> - 0 0 20 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.333 48.9-114.3 -57.5 146.9 -8.0 9.9 -2.6 8 8 A W H 3> S+ 0 0 26 1,-0.3 4,-2.6 199,-0.2 12,-0.2 0.853 113.3 57.3 -57.3 -34.5 -9.9 6.7 -2.3 9 9 A G H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.868 104.8 49.5 -69.0 -34.4 -13.3 8.5 -2.3 10 10 A L H <> S+ 0 0 0 -3,-0.9 4,-0.6 1,-0.2 14,-0.3 0.932 113.0 47.8 -69.3 -43.5 -12.7 10.2 -5.6 11 11 A A H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.911 110.2 54.7 -56.7 -42.2 -11.7 6.9 -7.1 12 12 A R H >< S+ 0 0 5 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.907 101.8 53.9 -65.1 -39.7 -14.8 5.3 -5.6 13 13 A I H 3< S+ 0 0 0 -4,-2.1 262,-2.7 1,-0.3 263,-0.3 0.590 112.6 45.5 -77.7 -3.6 -17.3 7.7 -7.1 14 14 A S T << S+ 0 0 8 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.3 0.111 105.5 81.7-113.5 19.7 -15.9 7.1 -10.6 15 15 A S < - 0 0 18 -3,-1.7 242,-0.1 1,-0.1 261,-0.1 -0.943 63.0-151.6-127.0 145.5 -15.8 3.3 -10.1 16 16 A T S S+ 0 0 86 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.541 91.6 41.6 -80.3 -8.1 -18.2 0.4 -10.4 17 17 A S S S- 0 0 62 -5,-0.0 3,-0.4 240,-0.0 -3,-0.1 -0.984 82.0-118.7-139.4 151.3 -16.0 -1.5 -7.8 18 18 A P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.299 84.0 58.8 -74.1 166.4 -14.1 -0.6 -4.6 19 19 A G S S+ 0 0 80 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.589 73.7 112.0 94.2 15.0 -10.4 -1.0 -4.3 20 20 A T - 0 0 68 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.740 47.3-158.4-117.1 166.8 -9.0 1.3 -7.1 21 21 A S + 0 0 56 -2,-0.3 -15,-2.4 -10,-0.1 2,-0.4 0.313 58.7 95.1-132.6 9.6 -7.1 4.5 -6.7 22 22 A T - 0 0 26 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.898 60.0-145.4-108.8 132.3 -7.5 6.4 -10.0 23 23 A Y E -A 3 0A 0 -20,-2.4 -20,-2.9 -2,-0.4 2,-0.4 -0.848 14.4-163.8 -95.7 124.9 -10.2 9.1 -10.3 24 24 A Y E +A 2 0A 97 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.924 21.8 147.2-114.0 132.7 -11.8 9.4 -13.8 25 25 A Y - 0 0 34 -24,-1.9 2,-0.2 -2,-0.4 -11,-0.0 -0.992 52.6 -91.1-159.9 147.1 -13.8 12.4 -14.8 26 26 A D > - 0 0 51 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.526 41.1-125.3 -59.9 136.1 -14.7 14.6 -17.8 27 27 A E T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.638 101.4 84.0 -67.7 -15.4 -12.2 17.4 -18.0 28 28 A S T > S- 0 0 28 1,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.860 74.0-174.8 -54.4 -36.8 -15.0 20.0 -17.9 29 29 A A T < - 0 0 2 -3,-2.0 58,-2.8 1,-0.3 59,-0.4 0.712 64.2 -52.7 55.9 35.3 -14.7 19.4 -14.2 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.603 84.3 167.4 78.0 11.2 -17.6 21.5 -13.1 31 31 A Q T < + 0 0 125 -3,-2.6 -1,-0.2 1,-0.3 57,-0.2 -0.313 66.4 24.8 -58.9 136.8 -16.5 24.7 -14.9 32 32 A G T 3 S+ 0 0 25 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.387 104.2 101.7 89.7 -6.9 -19.2 27.2 -15.0 33 33 A S E < -b 126 0B 0 -3,-2.0 56,-1.8 92,-0.2 -1,-0.4 -0.600 58.8-143.8-101.2 170.5 -20.9 25.9 -11.9 34 34 A a E -bc 127 89B 0 92,-1.9 94,-2.5 -2,-0.2 2,-0.5 -1.000 7.5-164.8-136.7 139.3 -20.9 27.2 -8.4 35 35 A V E -bc 128 90B 0 54,-3.0 56,-2.5 -2,-0.4 2,-0.5 -0.978 7.9-154.8-127.2 124.5 -20.8 25.5 -5.0 36 36 A Y E -bc 129 91B 0 92,-2.7 94,-3.1 -2,-0.5 2,-0.6 -0.816 6.5-156.8 -91.9 131.2 -21.6 27.3 -1.7 37 37 A V E -bc 130 92B 0 54,-2.7 56,-2.3 -2,-0.5 2,-0.8 -0.946 5.4-163.1-111.2 109.1 -20.0 25.6 1.3 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.4 -2,-0.6 2,-0.2 -0.864 51.4 84.7-100.1 103.4 -22.1 26.6 4.3 39 39 A D E S- c 0 94B 1 54,-2.3 57,-1.9 -2,-0.8 56,-1.5 -0.629 97.1 -32.0-166.9-142.6 -19.8 25.8 7.3 40 40 A T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.3 0.310 97.8 -93.0 -87.0 5.5 -16.9 27.3 9.3 41 41 A G - 0 0 0 52,-0.4 2,-0.3 -4,-0.2 -1,-0.3 -0.605 38.4 -91.8 114.0-176.2 -15.5 29.2 6.3 42 42 A I - 0 0 4 21,-0.5 2,-1.9 -2,-0.2 3,-0.1 -0.983 17.6-130.7-143.2 133.5 -12.9 28.4 3.7 43 43 A E > - 0 0 38 -2,-0.3 3,-2.0 1,-0.2 6,-0.2 -0.623 32.2-178.4 -77.3 84.1 -9.3 29.2 3.6 44 44 A A T 3 S+ 0 0 31 -2,-1.9 7,-0.5 1,-0.3 9,-0.4 0.752 71.8 65.5 -61.0 -27.4 -9.5 30.7 0.1 45 45 A S T 3 S+ 0 0 105 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.502 71.2 121.1 -75.2 -7.1 -5.8 31.4 -0.0 46 46 A H X> - 0 0 10 -3,-2.0 3,-2.5 1,-0.2 4,-0.6 -0.411 69.9-130.5 -59.5 130.5 -4.9 27.6 0.1 47 47 A P G >4 S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.827 103.4 69.9 -52.3 -29.5 -2.9 26.8 -3.1 48 48 A E G 34 S+ 0 0 12 1,-0.3 32,-2.6 2,-0.1 33,-0.1 0.694 94.2 54.5 -65.5 -18.7 -5.3 23.9 -3.7 49 49 A F G X4 S- 0 0 0 -3,-2.5 3,-2.7 30,-0.2 -1,-0.3 0.624 89.3-151.1 -91.9 -16.3 -8.1 26.2 -4.5 50 50 A E T << - 0 0 97 -3,-1.2 -2,-0.1 -4,-0.6 -5,-0.1 0.718 67.8 -56.0 59.8 26.9 -6.2 28.1 -7.3 51 51 A G T 3 S+ 0 0 68 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.484 116.7 110.7 86.1 -0.1 -8.1 31.3 -6.8 52 52 A R < + 0 0 16 -3,-2.7 38,-2.8 -8,-0.1 2,-0.3 0.482 62.4 75.4 -86.7 -3.7 -11.4 29.6 -7.4 53 53 A A E +d 90 0B 10 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.827 54.1 166.3-109.2 144.2 -12.6 30.0 -3.7 54 54 A Q E -d 91 0B 79 36,-1.7 38,-2.9 -2,-0.3 2,-0.4 -0.971 35.2-122.0-153.5 147.6 -13.8 33.1 -2.0 55 55 A M E +d 92 0B 39 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.725 30.6 169.0 -81.4 135.4 -15.6 34.0 1.2 56 56 A V E + 0 0 28 36,-2.6 2,-0.3 -2,-0.4 37,-0.2 0.497 61.6 20.5-122.8 -13.2 -18.9 35.9 0.4 57 57 A K E +d 93 0B 74 35,-1.4 37,-2.7 6,-0.1 -1,-0.3 -0.967 51.7 174.0-159.4 138.7 -20.5 35.9 3.9 58 58 A T E -d 94 0B 38 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.976 19.3-162.5-140.8 152.2 -19.8 35.6 7.6 59 59 A Y S S+ 0 0 70 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.169 75.9 67.9-110.4 10.2 -21.9 36.0 10.7 60 60 A Y S S- 0 0 63 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.664 104.1 -84.5-123.5 178.6 -19.0 36.3 13.0 61 61 A Y S S+ 0 0 205 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.739 112.1 27.7 -62.0 -19.6 -16.2 38.9 13.6 62 62 A S - 0 0 39 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.947 60.4-144.2-140.7 156.7 -14.1 37.3 10.8 63 63 A S + 0 0 53 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.403 67.9 117.0 -94.9 -1.1 -14.7 35.4 7.6 64 64 A R S S- 0 0 146 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.377 71.9-122.7 -70.5 140.4 -11.6 33.3 8.3 65 65 A D + 0 0 1 1,-0.1 -24,-0.1 -23,-0.1 -1,-0.1 -0.807 37.6 168.5 -80.5 98.6 -11.9 29.5 8.8 66 66 A G S S+ 0 0 22 -2,-1.0 -1,-0.1 -26,-0.4 -25,-0.1 0.270 71.8 50.0 -90.7 6.7 -10.3 29.1 12.2 67 67 A N S S- 0 0 47 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.800 89.8-134.9-110.3 -54.6 -11.5 25.6 12.5 68 68 A G S > S+ 0 0 0 -28,-0.1 4,-2.5 144,-0.1 5,-0.2 -0.127 77.8 98.0 122.3 -33.3 -10.6 23.6 9.4 69 69 A H H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.915 84.8 46.2 -57.8 -51.1 -13.9 21.8 8.8 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 113.2 50.9 -59.3 -36.4 -15.3 24.1 6.1 71 71 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 140,-0.3 0.884 109.9 49.8 -69.9 -40.5 -11.9 24.1 4.3 72 72 A H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.3 0.941 112.4 47.2 -62.0 -49.1 -11.9 20.3 4.3 73 73 A C H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.924 111.5 49.8 -59.4 -48.8 -15.4 20.1 2.9 74 74 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.865 106.7 58.0 -55.8 -36.9 -14.7 22.7 0.2 75 75 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.895 105.2 48.6 -65.0 -37.3 -11.6 20.8 -0.7 76 76 A T H < S+ 0 0 0 -4,-1.8 8,-2.4 1,-0.2 9,-0.2 0.862 113.9 48.0 -69.7 -32.3 -13.7 17.7 -1.4 77 77 A V H < S- 0 0 0 -4,-2.0 8,-2.9 6,-0.2 -2,-0.2 0.970 138.2 -12.4 -64.8 -52.6 -16.0 19.7 -3.5 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.298 81.7 131.1-148.2 8.3 -13.5 21.5 -5.6 79 79 A S X - 0 0 0 -4,-1.9 4,-1.5 -5,-0.4 -30,-0.2 -0.367 61.8-117.3 -67.2 159.0 -9.8 21.5 -4.6 80 80 A R T 4 S+ 0 0 106 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.918 108.1 22.4 -64.7 -45.9 -7.4 20.6 -7.4 81 81 A T T 4 S+ 0 0 47 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.842 135.5 31.3 -88.7 -36.4 -6.1 17.4 -5.8 82 82 A Y T 4 S+ 0 0 39 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.442 98.7 101.8-108.2 1.3 -8.8 16.4 -3.4 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.593 57.8-150.2 -99.1 149.4 -11.9 17.7 -5.2 84 84 A V S S+ 0 0 0 -8,-2.4 2,-0.8 1,-0.2 -6,-0.2 0.902 100.4 37.7 -70.8 -42.7 -14.7 16.1 -7.3 85 85 A A S > S- 0 0 0 -8,-2.9 3,-1.6 -9,-0.2 -1,-0.2 -0.820 73.1-177.4-119.6 85.3 -15.3 19.2 -9.4 86 86 A K T 3 S+ 0 0 15 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.473 78.1 42.1 -73.4 -6.0 -11.8 20.6 -9.9 87 87 A K T 3 S+ 0 0 96 -58,-2.8 -55,-0.5 2,-0.1 -1,-0.3 0.238 85.3 117.9-121.8 11.2 -12.9 23.7 -11.9 88 88 A T < - 0 0 0 -3,-1.6 2,-0.5 -59,-0.4 -54,-0.2 -0.308 67.5-114.0 -76.3 160.7 -16.0 24.8 -10.0 89 89 A Q E -c 34 0B 71 -56,-1.8 -54,-3.0 -59,-0.3 2,-0.4 -0.873 30.8-151.2 -92.5 129.9 -16.3 28.2 -8.2 90 90 A L E -cd 35 53B 0 -38,-2.8 -36,-1.7 -2,-0.5 2,-0.4 -0.891 10.1-168.3-107.2 132.5 -16.4 27.8 -4.4 91 91 A F E -cd 36 54B 7 -56,-2.5 -54,-2.7 -2,-0.4 2,-0.4 -0.978 12.3-144.6-121.7 130.7 -18.2 30.4 -2.2 92 92 A G E -cd 37 55B 0 -38,-2.9 -36,-2.6 -2,-0.4 -35,-1.4 -0.772 14.8-176.4-101.4 137.5 -17.8 30.3 1.5 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.3 -2,-0.4 2,-1.3 -0.966 16.6-150.3-132.7 110.2 -20.6 31.1 4.0 94 94 A K E +cd 39 58B 3 -37,-2.7 -35,-1.5 -2,-0.4 -54,-0.2 -0.696 39.0 145.5 -93.4 92.0 -19.5 31.1 7.6 95 95 A V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.3 -55,-0.2 0.501 62.1 67.0 -96.5 -8.9 -22.5 30.1 9.7 96 96 A L S S- 0 0 12 -57,-1.9 6,-0.2 -3,-0.2 -57,-0.1 -0.905 79.9-129.4-118.1 138.0 -20.4 28.2 12.2 97 97 A D > - 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